SCHEMBL28819639

SCHEMBL28819639

NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2cc(Cl)ccc2Cl)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CNR1 P21554 1/20 0.40
NR1H4 Q96RI1 8/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
OGFRL1 Q5TC84 3/20 0.38
CYP2C9 P11712 1/20 0.38
AGPAT2 O15120 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MCHR1 Q99705 1/20 0.37
OPRL1 P41146 1/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28819675 0.85 MCHR1 (0.44) NR1H4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819708 0.84 CA1 (0.41) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819662 0.82 OPRM1 (0.38) OPRM1OPRD1OPRK1OGFRL1MCHR1
SCHEMBL28819684 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL28819657 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL28819534 0.81 OPRM1 (0.41) PDE2APDE10AOPRM1OPRD1OPRK1
SCHEMBL28819597 0.81 OPRM1 (0.39) CNR1OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL28819554 0.80 OGFRL1 (0.45) NR1H4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819560 0.80 OGFRL1 (0.40) CNR1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL28819555 0.80 OPRM1 (0.39) OPRM1OPRD1OPRK1OGFRL1OPRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed